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Title: Itinerant Antiferromagnetism in RuO 2

Bulk rutile RuO 2 has long been considered a Pauli paramagnet. Here, in this article, we report that RuO 2 exhibits a hitherto undetected lattice distortion below approximately 900 K. The distortion is accompanied by antiferromagnetic order up to at least 300 K with a small room temperature magnetic moment of approximately 0.05μ B as evidenced by polarized neutron diffraction. Density functional theory plus U(DFT+U) calculations indicate that antiferromagnetism is favored even for small values of the Hubbard U of the order of 1 eV. The antiferromagnetism may be traced to a Fermi surface instability, lifting the band degeneracy imposed by the rutile crystal field. The combination of high Néel temperature and small itinerant moments make RuO 2 unique among ruthenate compounds and among oxide materials in general.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [1] ;  [5] ;  [5] ;  [5] ;  [6] ;  [7] ;  [1] ;  [8]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences and Computer Science and Mathematics Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Univ. of Tennessee, Knoxville, TN (United States). Department of Physics and Astronomy
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Duke Univ., Durham, NC (United States). Mechanical Engineering and Materials Science
  4. Univ. of Tennessee, Knoxville, TN (United States). Department of Physics and Astronomy
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
  6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  7. Univ. of Tennessee, Knoxville, TN (United States). Department of Materials Science and Engineering
  8. Univ. of Tennessee, Knoxville, TN (United States). Department of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Publication Date:
Grant/Contract Number:
AC05-00OR22725; AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 118; Journal Issue: 7; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Research Org:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1352754
Alternate Identifier(s):
OSTI ID: 1344017

Berlijn, Tom, Snijders, Paul C., Delaire, Oliver A., Zhou, H. -D., Maier, Thomas A., Cao, H. -B., Chi, S. -X., Matsuda, Masaaki, Wang, Yang, Koehler, Michael R., Kent, Paul R. C., and Weitering, Hanno H.. Itinerant Antiferromagnetism in RuO2. United States: N. p., Web. doi:10.1103/PhysRevLett.118.077201.
Berlijn, Tom, Snijders, Paul C., Delaire, Oliver A., Zhou, H. -D., Maier, Thomas A., Cao, H. -B., Chi, S. -X., Matsuda, Masaaki, Wang, Yang, Koehler, Michael R., Kent, Paul R. C., & Weitering, Hanno H.. Itinerant Antiferromagnetism in RuO2. United States. doi:10.1103/PhysRevLett.118.077201.
Berlijn, Tom, Snijders, Paul C., Delaire, Oliver A., Zhou, H. -D., Maier, Thomas A., Cao, H. -B., Chi, S. -X., Matsuda, Masaaki, Wang, Yang, Koehler, Michael R., Kent, Paul R. C., and Weitering, Hanno H.. 2017. "Itinerant Antiferromagnetism in RuO2". United States. doi:10.1103/PhysRevLett.118.077201. https://www.osti.gov/servlets/purl/1352754.
@article{osti_1352754,
title = {Itinerant Antiferromagnetism in RuO2},
author = {Berlijn, Tom and Snijders, Paul C. and Delaire, Oliver A. and Zhou, H. -D. and Maier, Thomas A. and Cao, H. -B. and Chi, S. -X. and Matsuda, Masaaki and Wang, Yang and Koehler, Michael R. and Kent, Paul R. C. and Weitering, Hanno H.},
abstractNote = {Bulk rutile RuO2 has long been considered a Pauli paramagnet. Here, in this article, we report that RuO2 exhibits a hitherto undetected lattice distortion below approximately 900 K. The distortion is accompanied by antiferromagnetic order up to at least 300 K with a small room temperature magnetic moment of approximately 0.05μB as evidenced by polarized neutron diffraction. Density functional theory plus U(DFT+U) calculations indicate that antiferromagnetism is favored even for small values of the Hubbard U of the order of 1 eV. The antiferromagnetism may be traced to a Fermi surface instability, lifting the band degeneracy imposed by the rutile crystal field. The combination of high Néel temperature and small itinerant moments make RuO2 unique among ruthenate compounds and among oxide materials in general.},
doi = {10.1103/PhysRevLett.118.077201},
journal = {Physical Review Letters},
number = 7,
volume = 118,
place = {United States},
year = {2017},
month = {2}
}

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